SCHEMBL957078

SCHEMBL957078

C=C(C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
MITF O75030 2/20 0.53
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC6 Q9UBN7 3/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
HDAC1 Q13547 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8517079 0.82 ALDH1A1 (0.58) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL29176500 0.82 NPC1 (0.62) ALDH1A1MAPTNPC1RAB9AHDAC6
SCHEMBL3056874 0.82 KMT2A (0.71) KMT2AALDH1A1MEN1MAPTMITF
SCHEMBL10728684 0.81 GAA (0.45) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL16628771 0.81 ALDH1A1 (0.56) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL8673184 0.81 ALDH1A1 (0.59) TP53KMT2AALDH1A1MEN1MAPT
SCHEMBL7178427 0.79 GAA (0.44) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL6658418 0.79 ALDH1A1 (0.54) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL14417753 0.79 KMT2A (0.54) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL183463 0.79 ALDH1A1 (0.59) KMT2AALDH1A1MEN1MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 US disclosed
EP-2238105-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2010-10-13 EP disclosed
WO-2009096701-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-08-06 WO disclosed
EP-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP disclosed
US-5541326-A PHARMACEUTICAL COMPOSITION USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-30 US disclosed
US-5420278-A ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids JOHN WYETH & BROTHER, LIMITED (GB) 1995-05-30 US disclosed
US-5382583-A Hydroxytryptamine antagonists JOHN WYETH & BROTHER, LIMITED (GB) 1995-01-17 US disclosed
US-5364849-A Treatment of anxiety JOHN WYETH & BROTHER, LIMITED (GB) 1994-11-15 US disclosed
US-5340812-A Antiserotonin. anxiolytic agents JOHN WYETH & BROTHER, LIMITED (GB) 1994-08-23 US disclosed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TP53 3592/4885KMT2A 4592/4885ALDH1A1 787/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TP53 3592/4885KMT2A 4592/4885ALDH1A1 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.